CID 154700122

Ns00117831

Structural Information

Molecular Formula
C19H25ClN2O3
SMILES
CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)[N+]4(C)[O-])C
InChI
InChI=1S/C19H25ClN2O3/c1-19(2)10-11-6-12(20)7-16(17(11)25-19)18(23)21-13-8-14-4-5-15(9-13)22(14,3)24/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKey
YVVPNZDUNJQAQQ-UHFFFAOYSA-N
Compound name
5-chloro-2,2-dimethyl-N-(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.15536 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.162636 185.6
[M+Na]+ 387.144578 192.3
[M-H]- 363.148084 189.9
[M+NH4]+ 382.189183 205.2
[M+K]+ 403.118518 182.4
[M+H-H2O]+ 347.152620 185.1
[M+HCOO]- 409.153561 194.3
[M+CH3COO]- 423.169211 207.0
[M+Na-2H]- 385.130026 187.9
[M]+ 364.15481142 183.8
[M]- 364.15590858 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.